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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-22796
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Tl', 'P', 'S']
  • Chemical System: P-S-Tl
  • Density: 5.861719094721927
  • Atomic Density: 0.03656224152104779
  • Unit Cell Volume: 875.2198625890745
  • Molar Volume: 16.470928776435205
  • Full Formula: Tl12 P4 S16
  • Reduced Formula: Tl3PS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm